3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
Chemical Structure Depiction of
3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
Compound characteristics
| Compound ID: | 8015-1371 |
| Compound Name: | 3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCN1C=C(C(c2ccc(C)nc12)=O)c1nnc(n1c1cc(ccc1OC)OC)S |
| Stereo: | ACHIRAL |
| logP: | 3.4846 |
| logD: | 3.117 |
| logSw: | -3.8608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.356 |
| InChI Key: | KFTBKWSHNNOKQM-UHFFFAOYSA-N |